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(S)-2-[N-(tert-Butoxycarbonyl)amino]-4-[N(2)-acetylguanin-9-yl]butyric Acid Methyl Ester
SpectraBase Compound ID Lx8ZQP7PXLT
InChI InChI=1S/C17H24N6O6/c1-9(24)19-15-21-12-11(13(25)22-15)18-8-23(12)7-6-10(14(26)28-5)20-16(27)29-17(2,3)4/h8,10H,6-7H2,1-5H3,(H,20,27)(H2,19,21,22,24,25)/t10-/m0/s1
InChIKey UOVROXSPRNNKGI-JTQLQIEISA-N
Mol Weight 408.42 g/mol
Molecular Formula C17H24N6O6
Exact Mass 408.175733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWuAcIngfF5
Name (S)-2-[N-(tert-Butoxycarbonyl)amino]-4-[N(2)-acetylguanin-9-yl]butyric Acid Methyl Ester
Alternate Name(s) (S)-4-(2-Acetylamino-6-oxo-1,6-dihydro-purin-9-yl)-2-tert-butoxycarbonylamino-butyric acid methyl ester Methyl (2S)-4-[2-(acetylamino)-6-oxo-1,6-dihydro-9H-purin-9-yl]-2-[(tert-butoxycarbonyl)amino]butanoate (2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester Methyl (2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Methyl (2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(tert-butoxycarbonylamino)butanoate Methyl (2S)-4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
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Formula C17H24N6O6
InChI InChI=1S/C17H24N6O6/c1-9(24)19-15-21-12-11(13(25)22-15)18-8-23(12)7-6-10(14(26)28-5)20-16(27)29-17(2,3)4/h8,10H,6-7H2,1-5H3,(H,20,27)(H2,19,21,22,24,25)/t10-/m0/s1
InChIKey UOVROXSPRNNKGI-JTQLQIEISA-N
Molecular Weight 408.415 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](CC[n]1cnc2c1N=C(NC2=O)NC(=O)C)(C(=O)OC)[H]
SPLASH splash10-0a4i-0092200000-31cee787b79786ccfa41
Source of Spectrum J-62-5448-19
Wiley ID 1372770